2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole

C53H36N5+ — CID 163967385

IUPAC2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)[NH2+]C(c3cccc4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc7ccccc7cc65)ccc34)=N2)cc1
InChIInChI=1S/C53H35N5/c1-3-14-34(15-4-1)51-54-52(35-16-5-2-6-17-35)56-53(55-51)44-23-13-20-38-30-39(26-28-41(38)44)58-49-29-27-40(33-46(49)45-31-36-18-7-8-19-37(36)32-50(45)58)57-47-24-11-9-21-42(47)43-22-10-12-25-48(43)57/h1-33,51H,(H,54,55,56)/p+1
InChIKeySMZODXOXVGPFSV-UHFFFAOYSA-O
MW742.91 g/mol
LogP11.66
Rot. Bonds5

About 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole

2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 163967385) has the molecular formula C53H36N5+ and a molecular weight of 742.91 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID163967385
Molecular FormulaC53H36N5+
Molecular Weight742.91 g/mol
Exact Mass742.30
IUPAC Name2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)[NH2+]C(c3cccc4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc7ccccc7cc65)ccc34)=N2)cc1
InChIInChI=1S/C53H35N5/c1-3-14-34(15-4-1)51-54-52(35-16-5-2-6-17-35)56-53(55-51)44-23-13-20-38-30-39(26-28-41(38)44)58-49-29-27-40(33-46(49)45-31-36-18-7-8-19-37(36)32-50(45)58)57-47-24-11-9-21-42(47)43-22-10-12-25-48(43)57/h1-33,51H,(H,54,55,56)/p+1
InChIKeySMZODXOXVGPFSV-UHFFFAOYSA-O
XLogP11.66
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.91
LogP ≤ 511.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
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11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-4-yl)-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 163648836
9-[5-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole
CID 170111086
2-carbazol-9-yl-5-[2-(6-phenanthren-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 160929756
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
9-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158803382
11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole (CID 163967385) is 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc(C2=NC(c3ccccc3)[NH2+]C(c3cccc4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc7ccccc7cc65)ccc34)=N2)cc1.
What is the InChIKey of 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is SMZODXOXVGPFSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C53H35N5/c1-3-14-34(15-4-1)51-54-52(35-16-5-2-6-17-35)56-53(55-51)44-23-13-20-38-30-39(26-28-41(38)44)58-49-29-27-40(33-46(49)45-31-36-18-7-8-19-37(36)32-50(45)58)57-47-24-11-9-21-42(47)43-22-10-12-25-48(43)57/h1-33,51H,(H,54,55,56)/p+1.
What are the key properties of 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole?
2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 742.91 g/mol, XLogP of 11.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 163967385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).